PARALLEL ALGORITHM FOR MOLECULAR-DYNAMICS INTEGRATION

A new parallel implementation of a long-range interaction problem on t he ring topology for a MIMD computer system is presented. The algorith m was applied for the implementation of a forces integrator in the mol ecular dynamics. The complexity estimation is made and also measured t ime results are given. It is shown that for each number of particles N there exists an optimal number of processors p. Time Complexity O(N2) of a sequential algorithm is reduced to O(N2/p) With the proposed par allel implementation. The time requirement for the optimal sequential algorithm is proportional to N2/2 and the time requirement for the pro posed parallel algorithm is proportional to N2/(2p).